苯丙酰氯
TL;DR: 苯丙酰氯 (CAS 645-45-4) is a chemical compound with molecular formula C9H9ClO and molecular weight 168.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯丙酰氯
3-phenylpropanoyl chloride
Also Known As: 3-Phenylpropanoyl chloride, Hydrocinnamoyl chloride, 3-Phenylpropionyl chloride, Benzenepropanoyl chloride, Hydrocinnamoylchloride
| Molecular Formula | C9H9ClO |
|---|---|
| Molecular Weight | 168.03 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 168.0342 |
| Heavy Atoms | 11 |
| Complexity | 128.0 |
Chemical Identifiers
| CAS Number | 645-45-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCC(=O)Cl |
| InChIKey | MFEILWXBDBCWKF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯丙酰氯 (CAS 645-45-4), with molecular formula C9H9ClO and molecular weight 168.03 g/mol. IUPAC: 3-phenylpropanoyl chloride.
Chemical Property Profile of 苯丙酰氯
Property Insights of 苯丙酰氯
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯丙酰氯. With a topological polar surface area (TPSA) of 17.1 Ų, 苯丙酰氯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯丙酰氯 has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 苯丙酰氯?
The CAS number of 苯丙酰氯 is 645-45-4.
What is the molecular formula of 苯丙酰氯?
The molecular formula of 苯丙酰氯 is C9H9ClO.
What is the molecular weight of 苯丙酰氯?
The molecular weight of 苯丙酰氯 is 168.03 g/mol.
Where can I buy 苯丙酰氯?
You can request a quote for 苯丙酰氯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯丙酰氯?
Yes, KEHONG BIO provides custom synthesis services for 苯丙酰氯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.